CS-1000347
Agomelatine Impurity 65
Manufacturer: ChemScene
CAS Number: 1079774-32-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₉NO
Molecular Weight
183.21
Synonyms
None
SMILES
N#CCC1=CC=CC2=CC=C(O)C=C21
Tpsa
44.02
Logp
2.61148
H Acceptors
2
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₉NO
Molecular Weight: 183.21
Synonyms: None
SMILES: N#CCC1=CC=CC2=CC=C(O)C=C21
Tpsa: 44.02
Logp: 2.61148
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₉NO
Molecular Weight:
183.21
Synonyms:
None
SMILES:
N#CCC1=CC=CC2=CC=C(O)C=C21
Tpsa:
44.02
Logp:
2.61148
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃F₃
Molecular Weight: 202.22
Synonyms: None
SMILES: FC(F)(F)C=1C=CC=C(C1)CCCC
Tpsa: 0
Logp: 4.048
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃F₃
Molecular Weight:
202.22
Synonyms:
None
SMILES:
FC(F)(F)C=1C=CC=C(C1)CCCC
Tpsa:
0
Logp:
4.048
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₂O₃
Molecular Weight: 298.38
Synonyms: None
SMILES: C(C)[C@@]12[C@]([C@]3([C@](CC1)(C=4C(C(=O)C3)=CC(O)=CC4)[H])[H])(CCC2=O)[H]
Tpsa: 54.37
Logp: 3.8477
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₂O₃
Molecular Weight:
298.38
Synonyms:
None
SMILES:
C(C)[C@@]12[C@]([C@]3([C@](CC1)(C=4C(C(=O)C3)=CC(O)=CC4)[H])[H])(CCC2=O)[H]
Tpsa:
54.37
Logp:
3.8477
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₃H₁₁₃N₁₁O₁₂
Molecular Weight: 1216.64
Synonyms: None
SMILES: [C@H]([C@@H](C/C=C/C)C)(O)[C@@]1(N(C)C(=O)[C@H]([C@H](C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)[H]
Tpsa: 278.8
Logp: 3.6591
H Acceptors: 12
H Donors: 5
Rotatable Bonds: 16
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₃H₁₁₃N₁₁O₁₂
Molecular Weight:
1216.64
Synonyms:
None
SMILES:
[C@H]([C@@H](C/C=C/C)C)(O)[C@@]1(N(C)C(=O)[C@H]([C@H](C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)[H]
Tpsa:
278.8
Logp:
3.6591
H Acceptors:
12
H Donors:
5
Rotatable Bonds:
16